| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 18 | Yes |
Popular Name: 3-[[[(1S)-1-(5-bromo-2-thienyl)ethyl]amino]methyl]benzonitrile 3-[[[(1S)-1-(5-bromo-2-thienyl)e…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.02 | 9.02 | -52.59 | 2 | 2 | 1 | 40 | 322.251 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 7.79 | -6.61 | 1 | 2 | 0 | 36 | 321.243 | 4 | ↓ |
